HMDB0241326 RDKit 3D 3-Hydroxytrideca-6,9-dienoylcarnitine 61 60 0 0 0 0 0 0 0 0999 V2000 3.2848 -0.6069 3.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4338 -0.4864 2.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0065 0.5324 0.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0429 0.7356 -0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8823 0.5129 -1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6650 0.0192 -1.9904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2733 1.0512 -2.9684 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1196 1.6522 -2.9727 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9764 1.4742 -2.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2855 1.0883 -2.7906 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2275 -0.1928 -3.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4990 -0.3630 -4.1789 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0117 -1.3941 -2.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1424 -1.4597 -1.6697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2404 -1.8726 -2.1387 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 -1.1013 -0.3452 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2664 -1.2167 0.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7756 -2.1752 1.5425 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6155 -2.6773 2.5877 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8424 -2.5318 2.6444 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0567 -3.4018 3.6615 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.4910 0.1932 0.9124 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5783 0.6286 1.6817 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.2582 0.5558 3.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7605 2.1147 1.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8557 0.0874 1.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8486 0.4231 3.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6451 -1.0024 3.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5318 -1.2683 2.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3091 -0.1366 2.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6337 -1.4740 1.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0808 0.1763 0.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8782 1.5088 1.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0310 1.1045 0.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7421 0.7016 -1.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9772 -0.9308 -2.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8396 -0.1934 -1.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0449 1.2981 -3.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9674 2.4217 -3.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1393 0.7668 -1.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8215 2.4757 -1.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5549 1.9331 -3.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1365 1.0302 -2.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5186 -0.2187 -4.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4383 0.1957 -4.9976 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9188 -1.2430 -2.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1126 -2.3150 -3.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0203 -1.5878 -0.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2886 -3.0259 0.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8399 -1.7530 2.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4938 0.5555 1.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5299 0.8126 -0.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9841 -0.0218 3.6872 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1304 1.5795 3.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2461 0.0839 3.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7439 2.3309 1.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6794 2.2365 0.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9772 2.6481 2.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3164 -0.2421 2.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8415 -0.8151 0.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5597 0.8135 0.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 3 5 6 1 0 6 7 1 0 7 8 2 3 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 17 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 23 26 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 5 35 1 0 6 36 1 0 6 37 1 0 7 38 1 0 8 39 1 0 9 40 1 0 9 41 1 0 10 42 1 0 10 43 1 0 11 44 1 0 12 45 1 0 13 46 1 0 13 47 1 0 17 48 1 0 18 49 1 0 18 50 1 0 22 51 1 0 22 52 1 0 24 53 1 0 24 54 1 0 24 55 1 0 25 56 1 0 25 57 1 0 25 58 1 0 26 59 1 0 26 60 1 0 26 61 1 0 M CHG 2 21 -1 23 1 M END